(7-phenyl-2H-chromen-4-yl)methylcarbamic acid

C17H15NO3 — CID 90236964

IUPAC(7-phenyl-2H-chromen-4-yl)methylcarbamic acid
SMILESO=C(O)NCC1=CCOc2cc(-c3ccccc3)ccc21
InChIInChI=1S/C17H15NO3/c19-17(20)18-11-14-8-9-21-16-10-13(6-7-15(14)16)12-4-2-1-3-5-12/h1-8,10,18H,9,11H2,(H,19,20)
InChIKeyNPYCPXSDAWGBEK-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.40
Rot. Bonds3

About (7-phenyl-2H-chromen-4-yl)methylcarbamic acid

(7-phenyl-2H-chromen-4-yl)methylcarbamic acid (PubChem CID 90236964) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is (7-phenyl-2H-chromen-4-yl)methylcarbamic acid.

Molecular Properties

Compound Name(7-phenyl-2H-chromen-4-yl)methylcarbamic acid
PubChem CID90236964
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name(7-phenyl-2H-chromen-4-yl)methylcarbamic acid
SMILESO=C(O)NCC1=CCOc2cc(-c3ccccc3)ccc21
InChIInChI=1S/C17H15NO3/c19-17(20)18-11-14-8-9-21-16-10-13(6-7-15(14)16)12-4-2-1-3-5-12/h1-8,10,18H,9,11H2,(H,19,20)
InChIKeyNPYCPXSDAWGBEK-UHFFFAOYSA-N
XLogP3.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-phenyl-2H-chromen-4-yl)methylcarbamic acid?
The IUPAC name of (7-phenyl-2H-chromen-4-yl)methylcarbamic acid (CID 90236964) is (7-phenyl-2H-chromen-4-yl)methylcarbamic acid.
What is the SMILES notation for (7-phenyl-2H-chromen-4-yl)methylcarbamic acid?
The canonical SMILES for (7-phenyl-2H-chromen-4-yl)methylcarbamic acid is O=C(O)NCC1=CCOc2cc(-c3ccccc3)ccc21.
What is the InChIKey of (7-phenyl-2H-chromen-4-yl)methylcarbamic acid?
The InChIKey is NPYCPXSDAWGBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-17(20)18-11-14-8-9-21-16-10-13(6-7-15(14)16)12-4-2-1-3-5-12/h1-8,10,18H,9,11H2,(H,19,20).
What are the key properties of (7-phenyl-2H-chromen-4-yl)methylcarbamic acid?
(7-phenyl-2H-chromen-4-yl)methylcarbamic acid has a molecular weight of 281.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-phenyl-2H-chromen-4-yl)methylcarbamic acid is sourced from PubChem (CID 90236964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).